9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C106H76BBrN10O2 — CID 159245933

About 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 159245933) has the molecular formula C106H76BBrN10O2 and a molecular weight of 1613.56 g/mol. Its IUPAC name is 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 159245933
• Molecular Formula: C106H76BBrN10O2
• Molecular Weight: 1613.56 g/mol
• Exact Mass: 1611.55
• IUPAC Name: 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: Brc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.CC1(C)OB(c2cccc(-c3nc4c(nc5ccccn54)c4ccccc34)c2)OC1(C)C.[H][2H].c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1
• InChI: InChI=1S/C50H31N5.C30H19BrN2.C26H24BN3O2.H2/c1-2-21-42-41(20-1)48(52-50-49(42)51-47-26-11-12-27-53(47)50)33-15-13-14-32(28-33)34-29-35(54-43-22-7-3-16-37(43)38-17-4-8-23-44(38)54)31-36(30-34)55-45-24-9-5-18-39(45)40-19-6-10-25-46(40)55;31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33;1-25(2)26(3,4)32-27(31-25)18-11-9-10-17(16-18)22-19-12-5-6-13-20(19)23-24(29-22)30-15-8-7-14-21(30)28-23;/h1-31H;1-19H;5-16H,1-4H3;1H/i;;;1+1
• InChIKey: KURJPMFUCFPIEW-SGNQUONSSA-N
• XLogP: 26.46
• TPSA: 98.56 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1613.56
LogP ≤ 5	26.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 159245933) is 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is Brc1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.CC1(C)OB(c2cccc(-c3nc4c(nc5ccccn54)c4ccccc34)c2)OC1(C)C.[H][2H].c1cc(-c2cc(-n3c4ccccc4c4ccccc43)cc(-n3c4ccccc4c4ccccc43)c2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1.

What is the InChIKey of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is KURJPMFUCFPIEW-SGNQUONSSA-N. The full InChI is InChI=1S/C50H31N5.C30H19BrN2.C26H24BN3O2.H2/c1-2-21-42-41(20-1)48(52-50-49(42)51-47-26-11-12-27-53(47)50)33-15-13-14-32(28-33)34-29-35(54-43-22-7-3-16-37(43)38-17-4-8-23-44(38)54)31-36(30-34)55-45-24-9-5-18-39(45)40-19-6-10-25-46(40)55;31-20-17-21(32-27-13-5-1-9-23(27)24-10-2-6-14-28(24)32)19-22(18-20)33-29-15-7-3-11-25(29)26-12-4-8-16-30(26)33;1-25(2)26(3,4)32-27(31-25)18-11-9-10-17(16-18)22-19-12-5-6-13-20(19)23-24(29-22)30-15-8-7-14-21(30)28-23;/h1-31H;1-19H;5-16H,1-4H3;1H/i;;;1+1.

What are the key properties of 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 1613.56 g/mol, XLogP of 26.46, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(3-bromo-5-carbazol-9-ylphenyl)carbazole;deuterium monohydride;8-[3-[3,5-di(carbazol-9-yl)phenyl]phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene;8-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 159245933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).